2-methoxy-6-(3-methylpyrazin-2-yl)-N,N-bis(propan-2-yl)benzamide

• ChemBase编号: 558217
• 分子式: C19H25N3O2
• 平均质量: 327.4207
• 单一同位素质量: 327.19467706
• SMILES: C(=O)(c1c(c2nccnc2C)cccc1OC)N(C(C)C)C(C)C
• Canonical SMILES: COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1nccnc1C
• InChI: InChI=1S/C19H25N3O2/c1-12(2)22(13(3)4)19(23)17-15(8-7-9-16(17)24-6)18-14(5)20-10-11-21-18/h7-13H,1-6H3
• InChIKey: QQKUWCJNAYVBQE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-6-(3-methylpyrazin-2-yl)-N,N-bis(propan-2-yl)benzamide
• IUPAC传统名: N,N-diisopropyl-2-methoxy-6-(3-methylpyrazin-2-yl)benzamide
• 别名: N,N-diisopropyl-2-methoxy-6-(3-methylpyrazin-2-yl)benzamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.3894143
• LogD (pH = 7.4): 2.3894336
• Log P: 2.3894339
• 摩尔折射率: 94.7697 cm^3
• 极化性: 37.665764 Å^3
• 极化表面积: 55.32 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 2.42
• LOG S: -3.65
• 极化表面积: 55.32 Å^2
• 可自由旋转的化学键: 5